Molecule

ID:117239

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂
Molecular Mass
192.64486
Exact Mass
192.04542598
Charge
0
InChI
InChI=1S/C10H9ClN2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3,(H2,12,13)
InChIKey
LEQBRGIPLABKAS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(N)cc(n2)C
Isomeric Smiles
c12c(nc(cc1N)C)ccc(c2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.31794536
LogD (pH = 7.4)
1.4051472
Log P
2.0373893
Molar Refractivity
54.076
Polarizability
21.707663
Polar Surface Area
38.91
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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